[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

C9H11N5O6P+ — CID 165156006

IUPAC[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESNc1nc2c(ncn2[C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N5O6P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(20-21(17)18)3(15)1-19-8/h2-3,5,8,15H,1H2,(H3-,10,12,13,16,17,18)/p+1/t3?,5-,8+/m0/s1
InChIKeyPPPUREQLALPFFR-HWYOQWQTSA-O
MW316.19 g/mol
LogP-1.37
Rot. Bonds3

About [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium

[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 165156006) has the molecular formula C9H11N5O6P+ and a molecular weight of 316.19 g/mol. Its IUPAC name is [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
PubChem CID165156006
Molecular FormulaC9H11N5O6P+
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium
SMILESNc1nc2c(ncn2[C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)[nH]1
InChIInChI=1S/C9H10N5O6P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(20-21(17)18)3(15)1-19-8/h2-3,5,8,15H,1H2,(H3-,10,12,13,16,17,18)/p+1/t3?,5-,8+/m0/s1
InChIKeyPPPUREQLALPFFR-HWYOQWQTSA-O
XLogP-1.37
TPSA165.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 135566260
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-(2-amino-6-oxo-1H-purin-9-yl)oxan-3-yl] acetate
CID 136736177
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
[5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 137081386
[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-methyl-5-[[methyl(oxo)phosphaniumyl]oxymethyl]oxolan-3-yl]oxy-methyl-oxophosphanium
CID 146033931
[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-di(propan-2-yloxy)oxolan-2-yl]methoxy-hydroxy-oxophosphanium;N,N-diethylethanamine
CID 137169167
selenoguanosine
CID 137242518
2-amino-9-[(2R,3R,4R)-3-chloro-4-hydroxy-3-methyloxolan-2-yl]-1H-purin-6-one
CID 136980531
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 137293470
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 135460969

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 165156006) is [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is Nc1nc2c(ncn2[C@@H]2OCC(O)[C@@H]2O[P+](=O)O)c(=O)[nH]1.
What is the InChIKey of [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is PPPUREQLALPFFR-HWYOQWQTSA-O. The full InChI is InChI=1S/C9H10N5O6P/c10-9-12-6-4(7(16)13-9)11-2-14(6)8-5(20-21(17)18)3(15)1-19-8/h2-3,5,8,15H,1H2,(H3-,10,12,13,16,17,18)/p+1/t3?,5-,8+/m0/s1.
What are the key properties of [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium?
[(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 316.19 g/mol, XLogP of -1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 165156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).